Re: Combine pdb and psf files

From: Luis Rosales (ludwig_at_correo.biomedicas.unam.mx)
Date: Fri Apr 29 2005 - 18:26:06 CDT

Hi Yong!!!!!

Well, you have done the most difficult part, so what its left to you is to
type or write a script that combines both files, like this:

-------------------------
package requires psfgen

readpsf file1.psf
readpsf file2.psf

coordpdb file1.pdb
coordpdb file2.pdb

writepsf whatever.psf
writepdb whatever.pdb

quit
-------------------------

and Voila!
now you can quit working and enjoy the weekend!! :)

Cheers,

Ludwig

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---------- Original Message -----------
From: "Gan, Yong \(UMC-Student\)" <yg8p2_at_mizzou.edu>
To: <namd-l_at_ks.uiuc.edu>
Sent: Fri, 29 Apr 2005 16:04:23 -0500
Subject: namd-l: Combine pdb and psf files
> Hello,
> 
> Now, I have separate pdb and psf files for a carbon nanotube and a 
> membrane (i.e. nanotube.pdb, nanotube.psf, membrane.psf and 
> membrane.pdb).
> 
> I want to combine these two structures together, that is to use one 
> pdb file and one psf file to discribe both carbon tube and membrane 
> (i.e. nanotube_membrane.psf and nanotube_membrane.pdb). What should 
> I do?
> 
> Thanks a lot!!!
> 
> Yong
------- End of Original Message -------

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